3–epi–Isocucurbitacin B

cas: 89647-62-1 — see every product listed under this CAS number, including other names

3–epi–Isocucurbitacin B (CAS 89647-62-1) is a chemical reagent available from Chemat. Available pack sizes: 5mg. Offered by: GLPBio.

brandGLPBio
catalog numberGF30565-5mg
cas89647-62-1
size5mg
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Available pack sizes

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GLPBio 5mg 3119.83 Pln

properties

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Structural formula: {0} (CAS {1})

[(E)-6-(3,16-dihydroxy-4,4,9,13,14-pentamethyl-2,11-dioxo-3,7,8,10,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl)-6-hydroxy-2-methyl-5-oxohept-3-en-2-yl] acetate (CAS 89647-62-1) is a chemical compound with the molecular formula C32H46O8 and a molecular weight of 558.7 g/mol. IUPAC name: [(E)-6-(3,16-dihydroxy-4,4,9,13,14-pentamethyl-2,11-dioxo-3,7,8,10,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl)-6-hydroxy-2-methyl-5-oxohept-3-en-2-yl] acetate. InChIKey: WTBZNVRBNJWSPF-OUKQBFOZSA-N.

Identity
Molecular formulaC32H46O8
Molecular weight558.7 g/mol
IUPAC name[(E)-6-(3,16-dihydroxy-4,4,9,13,14-pentamethyl-2,11-dioxo-3,7,8,10,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl)-6-hydroxy-2-methyl-5-oxohept-3-en-2-yl] acetate
InChIKeyWTBZNVRBNJWSPF-OUKQBFOZSA-N
SMILESCC(=O)OC(C)(C)/C=C/C(=O)C(C)(C1C(CC2(C1(CC(=O)C3(C2CC=C4C3CC(=O)C(C4(C)C)O)C)C)C)O)O

Computed by PubChem (NCBI)

Synonyms: 3-Epi-Isocucurbitacin B, Isocucurbitacin B [M+H]+
Related forms of this compound
[(E,6R)-6-[(3S,8S,9R,10R,13R,14S,16R,17R)-3,16-dihydroxy-4,4,9,13,14-pentamethyl-2,11-dioxo-3,7,8,10,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-hydroxy-2-methyl-5-oxohept-3-en-2-yl] acetate C32H46O8
Isomers (same molecular formula)
[(E,6R)-6-[(2S,8S,9R,10R,13R,14S,16R,17R)-2,16-dihydroxy-4,4,9,13,14-pentamethyl-3,11-dioxo-2,7,8,10,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-hydroxy-2-methyl-5-oxohept-3-en-2-yl] acetate C32H46O8
[(E,6R)-6-[(2R,8S,9R,10R,13R,14S,16R,17R)-2,16-dihydroxy-4,4,9,13,14-pentamethyl-3,11-dioxo-2,7,8,10,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-hydroxy-2-methyl-5-oxohept-3-en-2-yl] acetate C32H46O8
(E,6R)-6-[(3S,7S,10S,12S,13R,14R,17R)-12-acetyloxy-3,7-dihydroxy-4,4,10,13,14-pentamethyl-11,15-dioxo-2,3,5,6,7,12,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylhept-2-enoic acid C32H46O8

Also listed as

3-Epi-isocucurbitacin B Biosynth CAS 89647-62-1
[(E)-6-(3,16-dihydroxy-4,4,9,13,14-pentamethyl-2,11-dioxo-3,7,8,10,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl)-6-hydroxy-2-methyl-5-oxo-hept-3-en-2-yl] acetate, ≥98% Chemat CAS 89647-62-1